2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile

C11H18N2O — CID 58395487

IUPAC2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile
SMILESCC1CCN(C2(CC#N)COC2)CC1
InChIInChI=1S/C11H18N2O/c1-10-2-6-13(7-3-10)11(4-5-12)8-14-9-11/h10H,2-4,6-9H2,1H3
InChIKeyLFVMFKZAMLRVQY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.40
Rot. Bonds2

About 2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile

2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile (PubChem CID 58395487) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile
PubChem CID58395487
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile
SMILESCC1CCN(C2(CC#N)COC2)CC1
InChIInChI=1S/C11H18N2O/c1-10-2-6-13(7-3-10)11(4-5-12)8-14-9-11/h10H,2-4,6-9H2,1H3
InChIKeyLFVMFKZAMLRVQY-UHFFFAOYSA-N
XLogP1.40
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
The IUPAC name of 2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile (CID 58395487) is 2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile.
What is the SMILES notation for 2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
The canonical SMILES for 2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile is CC1CCN(C2(CC#N)COC2)CC1.
What is the InChIKey of 2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
The InChIKey is LFVMFKZAMLRVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10-2-6-13(7-3-10)11(4-5-12)8-14-9-11/h10H,2-4,6-9H2,1H3.
What are the key properties of 2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile?
2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperidin-1-yl)oxetan-3-yl]acetonitrile is sourced from PubChem (CID 58395487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).